methyl [7-(2H-1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
Chemical Structure Depiction of
methyl [7-(2H-1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
methyl [7-(2H-1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | 8020-3343 |
| Compound Name: | methyl [7-(2H-1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)-2,5-dioxo-4,5,6,7-tetrahydro[1,3]thiazolo[4,5-b]pyridin-3(2H)-yl]acetate |
| Molecular Weight: | 472.9 |
| Molecular Formula: | C22 H17 Cl N2 O6 S |
| Smiles: | COC(CN1C2=C(C(CC(N2c2cccc(c2)[Cl])=O)c2ccc3c(c2)OCO3)SC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1338 |
| logD: | 4.1338 |
| logSw: | -4.6788 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.12 |
| InChI Key: | VHELDXFENSGIDI-HNNXBMFYSA-N |